2-(2-aminocyclohexyl)-N-(1-methoxypropan-2-yl)-N-methylacetamide

C13H26N2O2 — CID 62783083

IUPAC2-(2-aminocyclohexyl)-N-(1-methoxypropan-2-yl)-N-methylacetamide
SMILESCOCC(C)N(C)C(=O)CC1CCCCC1N
InChIInChI=1S/C13H26N2O2/c1-10(9-17-3)15(2)13(16)8-11-6-4-5-7-12(11)14/h10-12H,4-9,14H2,1-3H3
InChIKeyUNKXKJYGDNCANB-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.39
Rot. Bonds5

About 2-(2-aminocyclohexyl)-N-(1-methoxypropan-2-yl)-N-methylacetamide

2-(2-aminocyclohexyl)-N-(1-methoxypropan-2-yl)-N-methylacetamide (PubChem CID 62783083) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(2-aminocyclohexyl)-N-(1-methoxypropan-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-aminocyclohexyl)-N-(1-methoxypropan-2-yl)-N-methylacetamide
PubChem CID62783083
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(2-aminocyclohexyl)-N-(1-methoxypropan-2-yl)-N-methylacetamide
SMILESCOCC(C)N(C)C(=O)CC1CCCCC1N
InChIInChI=1S/C13H26N2O2/c1-10(9-17-3)15(2)13(16)8-11-6-4-5-7-12(11)14/h10-12H,4-9,14H2,1-3H3
InChIKeyUNKXKJYGDNCANB-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminocyclohexyl)-N-(1-methoxypropan-2-yl)-N-methylacetamide?
The IUPAC name of 2-(2-aminocyclohexyl)-N-(1-methoxypropan-2-yl)-N-methylacetamide (CID 62783083) is 2-(2-aminocyclohexyl)-N-(1-methoxypropan-2-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2-aminocyclohexyl)-N-(1-methoxypropan-2-yl)-N-methylacetamide?
The canonical SMILES for 2-(2-aminocyclohexyl)-N-(1-methoxypropan-2-yl)-N-methylacetamide is COCC(C)N(C)C(=O)CC1CCCCC1N.
What is the InChIKey of 2-(2-aminocyclohexyl)-N-(1-methoxypropan-2-yl)-N-methylacetamide?
The InChIKey is UNKXKJYGDNCANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(9-17-3)15(2)13(16)8-11-6-4-5-7-12(11)14/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 2-(2-aminocyclohexyl)-N-(1-methoxypropan-2-yl)-N-methylacetamide?
2-(2-aminocyclohexyl)-N-(1-methoxypropan-2-yl)-N-methylacetamide has a molecular weight of 242.36 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminocyclohexyl)-N-(1-methoxypropan-2-yl)-N-methylacetamide is sourced from PubChem (CID 62783083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).